N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine

C20H22N6O2S — CID 59299176

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCCc1cc(Nc2nc(-c3cccc(S(=O)(=O)CC)c3)cc3nc(C)cn23)n[nH]1
InChIInChI=1S/C20H22N6O2S/c1-4-15-10-18(25-24-15)23-20-22-17(11-19-21-13(3)12-26(19)20)14-7-6-8-16(9-14)29(27,28)5-2/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25)
InChIKeyMUAHRQUMHKBYNR-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.53
Rot. Bonds6

About N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine

N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 59299176) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID59299176
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCCc1cc(Nc2nc(-c3cccc(S(=O)(=O)CC)c3)cc3nc(C)cn23)n[nH]1
InChIInChI=1S/C20H22N6O2S/c1-4-15-10-18(25-24-15)23-20-22-17(11-19-21-13(3)12-26(19)20)14-7-6-8-16(9-14)29(27,28)5-2/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25)
InChIKeyMUAHRQUMHKBYNR-UHFFFAOYSA-N
XLogP3.53
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
CID 59299184
N-ethyl-2-methoxy-5-[2-methyl-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]benzenesulfonamide
CID 59299227
7-[3-(3-cyclopropyl-5-methyl-1H-pyrazol-4-yl)phenyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 59298995
7-[3-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;2-methyl-7-[3-(3-methylimidazol-4-yl)phenyl]-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 69328154
N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methyl-4,8-dihydroimidazo[1,2-a]pyrazin-4-ium-5-amine
CID 173087306
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methyl-7-[1-(quinolin-8-ylmethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine
CID 59298943
3-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]-N-phenylbenzamide
CID 59298993
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
3-(chloromethyl)-N-(5-ethyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 114279782
N-(5-ethyl-1H-pyrazol-3-yl)methanesulfonamide
CID 104620650
2-chloro-7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[1,2-a][1,3,5]triazin-4-amine
CID 87343896
5-chloro-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 112699494

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 59299176) is N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine is CCc1cc(Nc2nc(-c3cccc(S(=O)(=O)CC)c3)cc3nc(C)cn23)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is MUAHRQUMHKBYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-4-15-10-18(25-24-15)23-20-22-17(11-19-21-13(3)12-26(19)20)14-7-6-8-16(9-14)29(27,28)5-2/h6-12H,4-5H2,1-3H3,(H2,22,23,24,25).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine?
N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 410.50 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-7-(3-ethylsulfonylphenyl)-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 59299176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).